1-[isoquinolin-6-yl-(2-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(o-tolyl)methyl]isonipecotic acid Formula: C23H24N2O2 MolecularWeight: 360.44886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H24N2O2/c1-16-4-2-3-5-21(16)22(25-12-9-17(10-13-25)23(26)27)19-6-7-20-15-24-11-8-18(20)14-19/h2-8,11,14-15,17,22H,9-10,12-13H2,1H3,(H,26,27)